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Explore a completely new drug binding mode for GPCR

Our team has found a completely new binding mode for GPCR drugs recently. In this work, it is the first time that Orthosteric metal ions were identified to coordinate with both drug molecules and GPCRs. Our computational predictions were vailidated by crystal structures, biochemical mutations as well as organic synthesis. This work has been published in ACS Central Science which is entitled "Enhancing the Signaling of GPCRs via Orthosteric Ions". The full text can be found here.

Tags: drug discovery allosteric site binding mode GPCR